KEGG   DRUG: Cholecalciferol
Entry
D00188                      Drug                                   
Name
Cholecalciferol (JP18/USP);
Colecalciferol (INN);
Vitamin D3;
Delta-D (TN)
Formula
C27H44O
Exact mass
384.3392
Mol weight
384.6377
Structure
Simcomp
Class
Gastrointestinal agent
 DG01607  Vitamin D derivatives
Remark
Same as: C05443
ATC code: A11CC05
Product (mixture): D10841<US> D12590<JP>
Efficacy
Antirachitic, Vitamin D receptor agonist
Target
NR1I1 (VDR) [HSA:7421] [KO:K08539]
  Pathway
hsa04961  Endocrine and other factor-regulated calcium reabsorption
hsa04978  Mineral absorption
Interaction
Brite
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 A ALIMENTARY TRACT AND METABOLISM
  A11 VITAMINS
   A11C VITAMIN A AND D, INCL. COMBINATIONS OF THE TWO
    A11CC Vitamin D and analogues
     A11CC05 Colecalciferol
      D00188  Cholecalciferol (JP18/USP)
Classification of Japanese OTC drugs [BR:br08313]
 Nourishing tonics and health supplements
  33 Vitamin D based drugs
   D00188  Cholecalciferol (JP18/USP)
Risk category of Japanese OTC drugs [BR:br08312]
 Second-class OTC drugs
  Inorganic and organic chemicals
   Ergocalciferol or Cholecalciferol
    D00188  Cholecalciferol (JP18/USP)
 Third-class OTC drugs
  Inorganic and organic chemicals
   Ergocalciferol
    D00188  Cholecalciferol (JP18/USP)
Drug groups [BR:br08330]
 Gastrointestinal agent
  DG01607  Vitamin D derivatives
   D00188  Cholecalciferol
Target-based classification of drugs [BR:br08310]
 Nuclear receptors
  Thyroid hormone like receptors
   Vitamin D3 like receptor
    NR1I1 (VDR)
     D00188  Cholecalciferol (JP18/USP)
Drugs listed in the Japanese Pharmacopoeia [BR:br08311]
 Chemicals
  D00188  Cholecalciferol
Other DBs
CAS: 67-97-0
PubChem: 7847256
ChEBI: 28940
LigandBox: D00188
NIKKAJI: J2.367A
KCF data

ATOM        28
            1   C1x C    21.3500  -18.5500
            2   C1x C    21.3500  -19.9500
            3   C2y C    22.6100  -20.6500
            4   C1y C    23.8000  -19.9500
            5   C1z C    23.8000  -18.5500
            6   C1x C    22.6100  -17.8500
            7   C1x C    25.1300  -20.4400
            8   C1x C    25.9700  -19.2500
            9   C1y C    25.1300  -18.1300
            10  C1c C    25.5500  -16.8000
            11  C1b C    26.9500  -16.8000
            12  C1a C    24.7800  -15.6800
            13  C1b C    27.6500  -15.6100
            14  C1b C    29.0500  -15.6100
            15  C1c C    29.7500  -14.4200
            16  C1a C    31.1500  -14.4200
            17  C1a C    23.8000  -17.1500
            18  C2b C    22.6100  -22.0500
            19  C2b C    21.3500  -22.8200
            20  C2y C    21.3500  -24.1500
            21  C1x C    20.1600  -24.8500
            22  C1y C    20.1600  -26.2500
            23  C1x C    21.3500  -26.9500
            24  C1x C    22.5400  -26.2500
            25  C2y C    22.5400  -24.8500
            26  C2a C    23.8000  -24.1500
            27  O1a O    18.9700  -26.9500
            28  C1a C    29.0500  -13.2300
BOND        30
            1     1   2 1
            2     2   3 1
            3     3   4 1
            4     4   5 1
            5     5   6 1
            6     1   6 1
            7     4   7 1
            8     7   8 1
            9     8   9 1
            10    5   9 1
            11    9  10 1
            12   10  11 1
            13   10  12 1 #Down
            14   11  13 1
            15   13  14 1
            16   14  15 1
            17   15  16 1
            18    5  17 1 #Up
            19    3  18 2
            20   18  19 1
            21   19  20 2
            22   20  21 1
            23   21  22 1
            24   22  23 1
            25   23  24 1
            26   24  25 1
            27   20  25 1
            28   25  26 2
            29   22  27 1 #Down
            30   15  28 1

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Ontology (6)   
   KEGG BRITE (6)   
Drug (2)   
   KEGG DGROUP (1)   
   LigandBox (1)   
Chemical substance (8)   
   KEGG COMPOUND (1)   
   PubChem (1)   
   ChEBI (1)   
   HMDB (2)   
   HSDB (1)   
   KNApSAcK (1)   
   NIKKAJI (1)   
Gene (2)   
   KEGG ORTHOLOGY (1)   
   KEGG GENES (1)   
All databases (18)   

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